N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0257 |
| Compound Name: | N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4757 |
| logD: | 3.4757 |
| logSw: | -3.9297 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.492 |
| InChI Key: | DJUOVEITMWEPBN-HXUWFJFHSA-N |